CID 6481890

Schembl29386029

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CN1C2=C(C=C(C=C2)O)C3=C1C=CC4=C3C(=O)N(C4=O)CCN(C)C
InChI
InChI=1S/C19H19N3O3/c1-20(2)8-9-22-18(24)12-5-7-15-16(17(12)19(22)25)13-10-11(23)4-6-14(13)21(15)3/h4-7,10,23H,8-9H2,1-3H3
InChIKey
GAHVCFYAQAESBP-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

337.14264 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 179.9
[M+Na]+ 360.13186 191.6
[M-H]- 336.13536 185.5
[M+NH4]+ 355.17646 198.2
[M+K]+ 376.10580 186.6
[M+H-H2O]+ 320.13990 173.1
[M+HCOO]- 382.14084 200.0
[M+CH3COO]- 396.15649 191.9
[M+Na-2H]- 358.11731 180.7
[M]+ 337.14209 186.5
[M]- 337.14319 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe